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Details

Stereochemistry ABSOLUTE
Molecular Formula C42H58O12P.Na
Molecular Weight 808.8663
Optical Activity UNSPECIFIED
Defined Stereocenters 14 / 14
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DI-HYDROCORTISONE SODIUM PHOSPHATE

SMILES

[Na+].C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)COP([O-])(=O)OCC(=O)[C@@]5(O)CC[C@H]6[C@@H]7CCC8=CC(=O)CC[C@]8(C)[C@H]7[C@@H](O)C[C@]56C

InChI

InChIKey=PPNZBHFUFIZBNN-SFDAJULSSA-M
InChI=1S/C42H59O12P.Na/c1-37-13-9-25(43)17-23(37)5-7-27-29-11-15-41(49,39(29,3)19-31(45)35(27)37)33(47)21-53-55(51,52)54-22-34(48)42(50)16-12-30-28-8-6-24-18-26(44)10-14-38(24,2)36(28)32(46)20-40(30,42)4;/h17-18,27-32,35-36,45-46,49-50H,5-16,19-22H2,1-4H3,(H,51,52);/q;+1/p-1/t27-,28-,29-,30-,31-,32-,35+,36+,37-,38-,39-,40-,41-,42-;/m0./s1

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.98976928
Charge 1
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C42H58O12P
Molecular Weight 785.8765
Charge -1
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 14 / 14
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
1ZVC726A2Y
Record Status Validated (UNII)
Record Version